2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide

C22H31N3O5 — CID 135120759

IUPAC2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC2(CCN(CC3COc4ccccc4O3)CC2)OCCC1=O
InChIInChI=1S/C22H31N3O5/c1-23(2)21(27)14-25-16-22(29-12-7-20(25)26)8-10-24(11-9-22)13-17-15-28-18-5-3-4-6-19(18)30-17/h3-6,17H,7-16H2,1-2H3
InChIKeyISPYWRUZAPDFFC-UHFFFAOYSA-N
MW417.51 g/mol
LogP1.00
Rot. Bonds4

About 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide

2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide (PubChem CID 135120759) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide
PubChem CID135120759
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC Name2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC2(CCN(CC3COc4ccccc4O3)CC2)OCCC1=O
InChIInChI=1S/C22H31N3O5/c1-23(2)21(27)14-25-16-22(29-12-7-20(25)26)8-10-24(11-9-22)13-17-15-28-18-5-3-4-6-19(18)30-17/h3-6,17H,7-16H2,1-2H3
InChIKeyISPYWRUZAPDFFC-UHFFFAOYSA-N
XLogP1.00
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

N,N-dimethyl-2-[10-oxo-3-(pyridin-3-ylmethyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]acetamide
CID 155503725
N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-4-yl]-N-methylacetamide
CID 121418596
N,N-dimethyl-2-(10-oxo-3-quinolin-4-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl)acetamide
CID 135092836
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidine-4-carboxamide
CID 175893248
2-[3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-2,4-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 138621369
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one
CID 13253821
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethylpiperidine-4-carboxamide
CID 121418421
4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
CID 91833288
N-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide
CID 121418475
lithium (3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylpiperidine-3-carboxylate
CID 66727429
2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]ethyl acetate
CID 3040911
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide (CID 135120759) is 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CC2(CCN(CC3COc4ccccc4O3)CC2)OCCC1=O.
What is the InChIKey of 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide?
The InChIKey is ISPYWRUZAPDFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-23(2)21(27)14-25-16-22(29-12-7-20(25)26)8-10-24(11-9-22)13-17-15-28-18-5-3-4-6-19(18)30-17/h3-6,17H,7-16H2,1-2H3.
What are the key properties of 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide?
2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide has a molecular weight of 417.51 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 135120759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).